⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1026515 | 0.87 | — | — | |
| SCHEMBL7642410 | 0.82 | DHFR (0.34) | — | |
| SCHEMBL1022320 | 0.81 | — | — | |
| SCHEMBL1023548 | 0.77 | — | — | |
| SCHEMBL1023365 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL1023546 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL6064563 | 0.76 | — | — | |
| SCHEMBL1023363 | 0.75 | — | — | |
| SCHEMBL1026090 | 0.74 | — | — | |
| SCHEMBL1022847 | 0.74 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7109278-B2 | Organometallic transition metal compound, biscyclopentadienyl ligand system, catalyst system and preparation of polyolefins | BASELL POLYOLEFINE GMBH (DE) | 2006-09-19 | — | — | US | disclosed |
| US-20040260107-A1 | Organometallic transition metal compound, biscyclopentadienyl ligand system, catalyst system and preparation of polyolefins | EQUISTAR CHEMICALS, LP | 2004-12-23 | — | — | US | disclosed |